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ChEBI
> Main
CHEBI:84318 - cholesteryl pentadecanoate
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ChEBI Name
cholesteryl pentadecanoate
ChEBI ID
CHEBI:84318
Definition
A cholesterol ester obtained by the formal condensation of cholesterol with pentadecanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C42H74O2
Net Charge
0
Average Mass
611.03580
Monoisotopic Mass
610.56888
InChI
InChI=1S/C42H74O2/c1-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
22-
40(43)
44-
35-
27-
29-
41(5)
34(31-
35)
23-
24-
36-
38-
26-
25-
37(33(4)
21-
19-
20-
32(2)
3)
42(38,6)
30-
28-
39(36)
41/h23,32-
33,35-
39H,7-
22,24-
31H2,1-
6H3/t33-
,35+,36+,37-
,38+,39+,41+,42-
/m1/s1
InChIKey
BDBPUUADYAQHAV-VUFYKUQQSA-N
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cholesteryl pentadecanoate (
CHEBI:84318
)
has functional parent
pentadecanoic acid (
CHEBI:42504
)
cholesteryl pentadecanoate (
CHEBI:84318
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl pentadecanoate (
CHEBI:84318
)
is a
cholesteryl ester (
CHEBI:17002
)
IUPAC Name
(3β)-cholest-5-en-3-yl pentadecanoate
Synonyms
Sources
15:0 cholesteryl ester
HMDB
CE(15:0)
LIPID MAPS
Manual Xref
Database
LMST01020027
LIPID MAPS
View more database links
Registry Number
Type
Source
6546372
Reaxys Registry Number
Reaxys
Last Modified
23 October 2015